Information card for entry 1550921

Structure parameters

• Formula: C5 H9.33 N1.33 O4 S20 Sn10
• Calculated formula: C5 H9.33333 N1.33333 O4 S20 Sn10
• Title of publication: Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
• Authors of publication: Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 29.1874 ± 0.0004 Å
• b: 29.1874 ± 0.0004 Å
• c: 57.5222 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 49003.4 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No